1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid hydrate

Systemtic Name: 1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid hydrate Openeye Name: 1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid hydrate CAS Name: 1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid hydrate IUPAC Name: 1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid hydrate Traditional Name: 1-butyl-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid hydrate Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2.O

Isomeric SMILES

CCCCC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2.O

InChI

InChI=1S/C16H20N2O2.H2O/c1-2-3-7-13-15-11(9-14(17-13)16(19)20)10-6-4-5-8-12(10)18-15;/h4-6,8,13-14,17-18H,2-3,7,9H2,1H3,(H,19,20);1H2